N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide

C17H18N2O6 — CID 17169805

IUPACN-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCOCCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H18N2O6/c1-23-9-10-24-16-4-2-3-13(11-16)18-17(20)12-25-15-7-5-14(6-8-15)19(21)22/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyWCBALZYAOOAOOZ-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.64
Rot. Bonds9

About N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide

N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 17169805) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID17169805
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCOCCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H18N2O6/c1-23-9-10-24-16-4-2-3-13(11-16)18-17(20)12-25-15-7-5-14(6-8-15)19(21)22/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyWCBALZYAOOAOOZ-UHFFFAOYSA-N
XLogP2.64
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
1-[3-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)urea
CID 68651093
2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086678
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 9323564
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide (CID 17169805) is N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide is COCCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is WCBALZYAOOAOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-23-9-10-24-16-4-2-3-13(11-16)18-17(20)12-25-15-7-5-14(6-8-15)19(21)22/h2-8,11H,9-10,12H2,1H3,(H,18,20).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide?
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 346.34 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 17169805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).